7X4E

Structure of 10635-DndE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-21
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.978
Spacegroup name	P 64 2 2
Unit cell lengths	69.732, 69.732, 106.022
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.340 - 2.320
R-factor	0.2079
Rwork	0.206
R-free	0.24860
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.613
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.390
High resolution limit [Å]	2.310	4.980	2.310
Rmerge	0.458	0.144	7.931
Rmeas	0.465	0.147	8.074
Rpim	0.088	0.026	1.496
Total number of observations	245237
Number of reflections	7069	809	677
<I/σ(I)>	2.6
Completeness [%]	100.0	100	100
Redundancy	34.7	32.3	29
CC(1/2)		0.985	0.760

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	20% PEG 3350, 0.2 M Lithium acetate dihydrate